1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate

Base Information

• Chemical Name: 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate
• CAS No.: 84461-00-7
• Molecular Formula: C13H11N3O3
• Molecular Weight: 257.249
• DSSTox Substance ID: DTXSID70349731
• Nikkaji Number: J2.683.686G
• Wikidata: Q82125159
• ChEMBL ID: CHEMBL1372001
• Mol file: 84461-00-7.mol

Synonyms:1-diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate;84461-00-7;2-(5-DIAZO-4-OXOPENTYL)ISOINDOLE-1,3-DIONE;MLS000079294;Oprea1_809993;CHEMBL1372001;DTXSID70349731;HMS2351M08;STL326963;AKOS022140136;SMR000039665;2-(5-diazo-4-oxopentyl)-1H-isoindole-1,3(2H)-dione

Chemical Property of 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate

Chemical Property:

• PSA: 91.84000
• LogP: 0.95146
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.08004122
• Heavy Atom Count: 19
• Complexity: 430

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)C=[N+]=[N-]